7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H23N7 — CID 95599921

IUPAC7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCC[C@@H]2Cn2cc(C)cn2)n2ncnc2n1
InChIInChI=1S/C17H23N7/c1-3-5-14-8-16(24-17(21-14)18-12-20-24)23-7-4-6-15(23)11-22-10-13(2)9-19-22/h8-10,12,15H,3-7,11H2,1-2H3/t15-/m1/s1
InChIKeyDHODVIMZQUOINZ-OAHLLOKOSA-N
MW325.42 g/mol
LogP2.25
Rot. Bonds5

About 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 95599921) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID95599921
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCC[C@@H]2Cn2cc(C)cn2)n2ncnc2n1
InChIInChI=1S/C17H23N7/c1-3-5-14-8-16(24-17(21-14)18-12-20-24)23-7-4-6-15(23)11-22-10-13(2)9-19-22/h8-10,12,15H,3-7,11H2,1-2H3/t15-/m1/s1
InChIKeyDHODVIMZQUOINZ-OAHLLOKOSA-N
XLogP2.25
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 95599921) is 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCc1cc(N2CCC[C@@H]2Cn2cc(C)cn2)n2ncnc2n1.
What is the InChIKey of 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DHODVIMZQUOINZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N7/c1-3-5-14-8-16(24-17(21-14)18-12-20-24)23-7-4-6-15(23)11-22-10-13(2)9-19-22/h8-10,12,15H,3-7,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 325.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95599921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).